Geometry & MOs

Info

ID:

310058

PubChem CID:

126573395

Reduced:

N2O6C25H34 (1)

Stoich.:

A2B6C25D34 (1)

Weight, g/mol:

436.257337

ΔHf, kcal/mol:

-166.3

Dipole, Da:

4.11

IP(EA), eV:

 -9.26(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-[2-(methylamino)-2-oxoethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2C(C(CCC23CO3)OC(=O)N4CC(C4)OC5=CC=CC=N5)OC)C

DOS

IR

Vibrations